mdtools/libmdCode/fForceField.h

#ifdef __C
#ifndef __FFORCEFIELD
#define __FFORCEFIELD
/** This header provides dual access for the force field structure between 
    fortran and C for the simtype structure. NOTE: Sequence of struct 
    components must match between C and fortran and in general be packed 
    double,int,char. 
*/
typedef  struct{
  const int LB_MIXING_RULE = 1;
  const int EXPLICIT_MIXING_RULE = 2;
  int LJ_Mixing_Policy;
  int use_RF;
} ffstruct;
#endif //__FFORCEFIELD
#endif //__C

#ifdef  __FORTRAN90

type, public :: ffstruct
   PRIVATE
   SEQUENCE
   integer :: LB_mixing_rule
   integer :: Explicit_mixing_rule
   integer :: LJ_Mixing_Policy
   logical :: use_RF_c
end type simtype
#endif
Revision:	356
Committed:	Mon Mar 17 20:42:57 2003 UTC (21 years, 5 months ago) by gezelter
Content type:	text/plain
File size:	686 byte(s)
Log Message:	fortran-side fixes to play nice with C
#	Content
1	#ifdef __C
2	#ifndef __FFORCEFIELD
3	#define __FFORCEFIELD
4	/** This header provides dual access for the force field structure between
5	fortran and C for the simtype structure. NOTE: Sequence of struct
6	components must match between C and fortran and in general be packed
7	double,int,char.
8	*/
9	typedef struct{
10	const int LB_MIXING_RULE = 1;
11	const int EXPLICIT_MIXING_RULE = 2;
12	int LJ_Mixing_Policy;
13	int use_RF;
14	} ffstruct;
15	#endif //__FFORCEFIELD
16	#endif //__C
17
18	#ifdef __FORTRAN90
19
20	type, public :: ffstruct
21	PRIVATE
22	SEQUENCE
23	integer :: LB_mixing_rule
24	integer :: Explicit_mixing_rule
25	integer :: LJ_Mixing_Policy
26	logical :: use_RF_c
27	end type simtype
28	#endif